[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-[(1R)-1-phenylprop-2-enyl]phosphane

C19H17F6P — CID 118312844

IUPAC[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-[(1R)-1-phenylprop-2-enyl]phosphane
SMILESC=C[C@@H](P[C@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C19H17F6P/c1-3-17(13-7-5-4-6-8-13)26-12(2)14-9-15(18(20,21)22)11-16(10-14)19(23,24)25/h3-12,17,26H,1H2,2H3/t12-,17-/m1/s1
InChIKeyOUIOJLKLDBAAGN-SJKOYZFVSA-N
MW390.31 g/mol
LogP7.39
Rot. Bonds5

About [(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-[(1R)-1-phenylprop-2-enyl]phosphane

[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-[(1R)-1-phenylprop-2-enyl]phosphane (PubChem CID 118312844) has the molecular formula C19H17F6P and a molecular weight of 390.31 g/mol. Its IUPAC name is [(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-[(1R)-1-phenylprop-2-enyl]phosphane.

Molecular Properties

Compound Name[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-[(1R)-1-phenylprop-2-enyl]phosphane
PubChem CID118312844
Molecular FormulaC19H17F6P
Molecular Weight390.31 g/mol
Exact Mass390.10
IUPAC Name[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-[(1R)-1-phenylprop-2-enyl]phosphane
SMILESC=C[C@@H](P[C@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C19H17F6P/c1-3-17(13-7-5-4-6-8-13)26-12(2)14-9-15(18(20,21)22)11-16(10-14)19(23,24)25/h3-12,17,26H,1H2,2H3/t12-,17-/m1/s1
InChIKeyOUIOJLKLDBAAGN-SJKOYZFVSA-N
XLogP7.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.31
LogP ≤ 57.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-[(1R)-1-phenylprop-2-enyl]phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-1-phenylethanamine
CID 89273186
(1S)-1-[3,5-bis(trifluoromethyl)phenyl]-N-methylprop-2-en-1-amine
CID 118492067
1-phenyl-3-propan-2-yl-5-(trifluoromethyl)benzene
CID 167251693
N-methyl-N-[(1S)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-1-phenylethanamine
CID 59711097
bis([(1R)-1-phenylethyl]azanium);bis(tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide);dihydrate
CID 139203643
1-[(R)-bromo(phenyl)methyl]-3-(trifluoromethyl)benzene
CID 124554901
1-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-phenylbut-3-en-2-amine;(E)-but-2-enedioic acid
CID 163325219
3-[3,5-bis(trifluoromethyl)phenyl]-3-phenylpropanoic acid
CID 132543215
1-tert-butyl-3-(difluoromethyl)-5-(trifluoromethyl)benzene
CID 165377879
N-benzyl-3-[3,5-bis(trifluoromethyl)phenyl]-N-propan-2-ylbutan-1-amine
CID 143793924
1-(3-methylbut-3-en-2-yl)-3,5-bis(trifluoromethyl)benzene
CID 142096836
(1S)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 7023585

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-[(1R)-1-phenylprop-2-enyl]phosphane?
The IUPAC name of [(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-[(1R)-1-phenylprop-2-enyl]phosphane (CID 118312844) is [(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-[(1R)-1-phenylprop-2-enyl]phosphane.
What is the SMILES notation for [(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-[(1R)-1-phenylprop-2-enyl]phosphane?
The canonical SMILES for [(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-[(1R)-1-phenylprop-2-enyl]phosphane is C=C[C@@H](P[C@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1.
What is the InChIKey of [(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-[(1R)-1-phenylprop-2-enyl]phosphane?
The InChIKey is OUIOJLKLDBAAGN-SJKOYZFVSA-N. The full InChI is InChI=1S/C19H17F6P/c1-3-17(13-7-5-4-6-8-13)26-12(2)14-9-15(18(20,21)22)11-16(10-14)19(23,24)25/h3-12,17,26H,1H2,2H3/t12-,17-/m1/s1.
What are the key properties of [(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-[(1R)-1-phenylprop-2-enyl]phosphane?
[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-[(1R)-1-phenylprop-2-enyl]phosphane has a molecular weight of 390.31 g/mol, XLogP of 7.39, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-[(1R)-1-phenylprop-2-enyl]phosphane is sourced from PubChem (CID 118312844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).